NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 K 4.2552 8.1727 122.0576 56.3277 34.1124 173.8894 2 V 4.6400 8.2579 127.3158 61.0787 32.2126 174.6704 3 F 4.4665 9.6326 128.1097 57.2667 40.3501 175.2902 4 G 3.9309 8.8901 108.4851 45.4220 0.0000 174.8101 5 R 3.4753 8.7954 120.7585 59.8198 30.0679 179.7357 6 C 4.3732 8.0874 115.4474 59.5890 37.6404 175.5776 7 E 3.8909 8.1079 120.7237 59.1965 29.2399 178.5020 8 L 3.5575 8.0995 120.1958 57.9242 42.0943 178.4416 9 A 3.9126 7.8716 120.5364 55.3310 18.1815 179.5629 10 A 3.8895 7.9931 118.7098 55.2320 18.5289 179.7117 11 A 3.9602 7.9526 119.3469 55.5601 18.4697 179.8175 12 M 3.8025 8.1831 117.4743 58.2109 31.9757 178.8537 13 K 3.8332 8.0482 119.7485 59.6380 32.2011 178.7090 14 R 3.9403 8.0541 117.8326 59.4143 29.9058 177.0755 15 H 4.6388 7.7037 113.5943 55.0248 28.8101 175.3629 16 G 3.8222 8.1294 108.8958 46.6435 0.0000 175.2820 17 L 3.7335 7.6772 121.8746 55.6426 42.1478 176.4343 18 D 4.4974 7.9289 117.8304 55.6549 41.2444 175.2685 19 N 4.4359 9.3790 122.9745 53.9178 36.9386 173.4595 20 Y 4.2775 8.3584 121.3153 58.9657 39.1070 176.2245 21 R 3.7823 9.1173 124.7458 57.1896 27.8554 177.1195 22 G 3.7334 8.4194 103.9944 45.6185 0.0000 173.5426 23 Y 4.4968 8.1447 118.9205 55.6666 38.9323 175.8845 24 S 4.6546 8.5982 119.8682 57.9601 64.0431 174.9803 25 L 4.3244 8.6559 122.4318 58.5388 41.6261 179.4033 26 G 4.0027 8.4162 105.1131 48.1359 0.0000 175.0944 27 N 4.5150 8.2752 118.2191 56.1397 38.6170 177.5862 28 W 3.8877 7.9508 119.7731 59.5793 29.1051 178.7123 29 V 3.6130 8.0225 118.3459 65.9504 30.9884 177.2317 30 C 2.6306 8.1413 118.1336 59.0490 43.5477 175.4173 31 A 3.9085 7.9718 122.0405 55.1789 17.9789 179.4554 32 A 4.0516 7.7827 120.5841 54.4133 18.4008 179.6378 33 K 2.4800 7.6925 118.1766 59.3174 31.8750 178.8751 34 F 4.5077 7.1257 115.4163 59.3988 39.0154 177.5110 35 E 4.3404 8.2160 118.5705 58.2913 29.8550 177.4106 36 S 4.5371 7.7693 109.4096 56.5124 64.5347 173.4011 37 N 4.0237 8.3263 118.3734 54.9194 37.5143 174.1136 38 F 4.1333 7.9260 110.8382 57.8969 36.7733 173.8399 39 N 5.3452 7.9018 120.3969 51.9304 39.5049 175.9688 40 T 4.0450 8.8004 117.2560 64.5200 69.0351 175.6749 41 Q 4.3381 8.4137 119.1009 55.7550 29.1459 175.5804 42 A 4.3984 7.8431 122.1124 52.2578 19.3911 177.1668 43 T 5.4883 8.1834 110.5655 59.4591 72.5295 173.2023 44 N 4.8991 8.1692 119.6849 52.0718 43.0182 173.6183 45 R 4.5926 8.6429 124.3331 55.9027 31.5773 175.0260 46 N 5.1178 9.1451 122.3570 51.3877 41.3968 176.1512 47 T 3.8715 8.5806 110.7705 64.8471 68.8785 175.0591 48 D 4.4453 7.9690 118.6677 53.8641 39.5274 176.8782 49 G 3.9295 8.1451 109.6565 45.1525 0.0000 173.9918 50 S 4.6097 8.1694 114.8356 58.2637 65.1897 173.2074 51 T 5.0004 8.9253 115.8611 61.9106 72.7501 172.8726 52 D 5.4650 9.0618 124.8808 53.1740 43.2194 175.0991 53 Y 5.0350 9.1376 120.9050 57.3861 41.6558 177.3219 54 G 4.1726 9.0371 112.5203 44.4593 0.0000 173.4255 55 I 3.8660 8.2888 116.4914 62.7950 37.7855 177.4129 56 L 4.5694 7.9264 116.4108 53.4855 42.5090 176.1972 57 Q 3.5124 8.1402 116.9648 57.1233 26.7811 174.4599 58 I 4.1313 8.0906 118.8456 61.2354 39.0318 176.9552 59 N 5.3614 9.0636 126.0491 53.4103 39.7726 175.7444 60 S 4.5406 9.0612 120.4861 60.7729 63.4328 175.4521 61 R 3.7128 9.0920 122.5270 58.2982 30.4510 178.2239 62 W 4.2413 8.0680 116.8764 56.6225 31.8022 176.9945 63 W 4.9902 8.2322 117.5201 57.5855 29.5996 173.4082 64 C 5.5410 7.9095 110.3081 53.8155 42.0210 172.1690 65 N 4.9225 8.9380 119.2957 52.0366 39.6594 174.5943 66 D 4.6258 8.4157 122.3982 52.0648 40.3743 175.5675 67 A 3.7983 8.5016 120.6408 53.1792 16.7949 177.9983 68 R 4.7045 8.3929 111.1572 56.9580 30.4059 175.9781 69 T 4.4225 7.6154 116.4798 60.8223 68.9952 170.2243 70 P 4.2737 0.0000 0.0000 64.1521 31.9019 176.6145 71 G 3.8503 9.1816 111.3848 45.0801 0.0000 173.4694 72 S 4.0541 7.1094 113.2168 58.6264 62.8472 174.1582 73 R 4.2563 8.1557 123.1301 55.1480 32.2233 175.6599 74 N 4.1571 8.0580 116.0461 54.3966 37.2179 175.3161 75 L 4.0858 8.3035 117.7497 57.5276 42.1597 178.1672 76 C 4.6273 8.5622 114.1856 56.3139 41.1897 172.9488 77 N 4.1922 8.0927 117.0608 53.3645 36.0549 173.7696 78 I 4.5906 8.0184 110.5432 58.7003 41.5237 173.2665 79 P 4.7309 0.0000 0.0000 62.5179 32.2858 178.0024 80 C 3.9299 8.8440 119.2558 60.1389 39.9718 176.7892 81 S 3.8963 7.8884 115.0584 61.2591 61.9273 176.2135 82 A 4.0400 7.9701 124.3704 54.8436 17.8494 178.9642 83 L 4.2254 7.7688 115.6104 56.3075 41.9275 178.1783 84 L 5.2797 7.5034 119.2102 53.2073 42.3372 176.6909 85 S 4.3560 6.9634 113.3314 58.0352 62.9210 174.3048 86 S 4.2633 8.5037 119.0681 60.5399 63.2505 173.8022 87 D 4.6155 7.8256 121.2793 53.3621 40.7740 176.3563 88 I 4.0121 8.3824 120.2155 61.7558 37.7249 177.2820 89 T 3.6193 8.0724 119.1457 67.0978 68.4717 175.7735 90 A 3.9385 7.8874 121.5836 55.3733 18.5075 179.6291 91 S 4.0721 7.9593 113.1305 61.7366 62.9199 177.0432 92 V 3.3101 7.8691 121.0954 66.0252 30.9120 177.9389 93 N 4.2458 8.2942 116.4110 56.1143 38.3043 176.6250 94 C 4.1173 8.1077 119.6860 59.3352 42.2393 175.3480 95 A 4.1048 8.0413 122.4503 55.1716 17.6100 179.7333 96 K 3.6698 7.7946 117.0085 59.4362 31.7597 179.7514 97 K 4.0942 7.2468 117.7155 59.2478 32.2702 179.2990 98 I 3.0828 7.4218 120.3277 64.0804 36.4503 178.9332 99 V 3.7855 8.3675 119.8746 64.2848 30.7568 177.7389 100 S 4.5434 7.8346 114.7803 59.6685 62.8346 175.1640 101 D 4.5700 7.9043 120.7475 55.2454 40.9524 175.8297 102 G 4.0093 7.2236 106.8694 46.3170 0.0000 174.5562 103 N 4.7270 8.4377 115.2427 51.9367 39.6585 176.0394 104 G 4.0417 7.8117 107.5607 45.4194 0.0000 174.9348 105 M 4.2095 7.3689 119.4633 56.3484 31.7848 177.7026 106 N 4.8700 7.7865 116.5025 55.1866 38.8271 176.1849 107 A 3.8604 7.5044 119.8280 53.6571 18.7116 177.8173 108 W 4.6112 8.2120 117.1407 54.9676 30.3381 177.1380 109 V 3.7216 8.5455 125.5597 65.0084 30.6755 178.1221 110 A 4.0209 8.4085 120.8594 54.3416 18.1439 179.4969 111 W 3.9522 8.2750 126.6209 60.6305 30.7085 177.9382 112 R 3.4829 8.0130 117.2480 59.4417 29.6336 177.7066 113 N 4.5326 8.0722 114.0101 54.4780 38.9184 175.9266 114 R 4.4158 7.9989 115.7701 55.3508 32.7995 174.8020 115 C 4.7517 7.6536 114.1446 57.9139 42.5159 174.2677 116 K 3.2815 7.1194 120.1589 57.7238 31.6666 176.3253 117 G 3.8284 8.8355 113.8404 46.4300 0.0000 172.4750 118 T 4.6344 7.4376 108.2511 59.1417 71.8645 174.4163 119 D 4.6724 8.2136 121.4573 53.1535 39.6334 176.6971 120 V 4.2625 8.0242 117.1693 63.2457 32.4243 178.5799 121 Q 4.1301 8.4454 119.0151 58.8108 28.3121 178.0788 122 A 3.9048 7.9324 121.3808 55.0279 18.0329 179.4954 123 W 4.2977 8.0639 116.3433 58.4463 29.3798 176.9254 124 I 4.4764 7.9065 111.3826 60.0632 37.8542 175.4113 125 R 4.0096 7.4319 122.3898 57.9131 30.2305 176.9156 126 G 3.9938 8.8963 112.5609 45.5986 0.0000 174.0166 127 C 4.4810 7.5893 117.0201 55.9948 41.0873 173.9223 128 R 4.2629 8.3840 124.4812 55.3454 28.7789 176.1499 129 L 4.3514 8.2248 123.9177 54.6675 42.1070 176.8142 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *1 K 8.17 4.26 0.00 1.86 1.74 0.00 1.32 0.00 0.00 1.01 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.45 7.81 2 V 8.26 4.64 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.98 0.00 0.00 3 F 9.63 4.47 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.89 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.80 3.48 0.00 2.05 2.01 0.00 3.63 0.00 0.00 3.70 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.02 0.00 6 C 8.09 4.37 0.00 3.01 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.11 3.89 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.41 0.00 8 L 8.10 3.56 0.00 1.35 1.35 -0.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.87 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.99 3.89 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.95 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 M 8.18 3.80 0.00 1.84 2.18 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.26 0.00 13 K 8.05 3.83 0.00 1.90 1.96 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 14 R 8.05 3.94 0.00 1.77 2.17 0.00 3.25 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.57 0.00 15 H 7.70 4.64 0.00 3.19 3.15 0.00 5.97 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.13 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.68 3.73 0.00 1.42 0.70 -0.16 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.93 4.50 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.38 4.44 0.00 3.13 2.97 0.00 0.00 6.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.36 4.28 0.00 3.23 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.12 3.78 0.00 2.27 2.11 0.00 3.37 0.00 0.00 2.98 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.63 0.00 22 G 8.42 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.14 4.50 0.00 3.17 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.60 4.65 0.00 4.11 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.66 4.32 0.00 2.08 1.83 0.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.42 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.28 4.52 0.00 2.80 2.54 0.00 0.00 7.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 7.95 3.89 0.00 3.43 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.02 3.61 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.01 0.00 0.00 30 C 8.14 2.63 0.00 2.67 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.97 3.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.78 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.69 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.93 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 F 7.13 4.51 0.00 3.04 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.22 4.34 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 36 S 7.77 4.54 0.00 4.16 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.33 4.02 0.00 2.77 2.86 0.00 0.00 7.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.93 4.13 0.00 3.36 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.90 5.35 0.00 2.87 2.89 0.00 0.00 6.97 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.80 4.05 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 41 Q 8.41 4.34 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 42 A 7.84 4.40 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.18 5.49 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 44 N 8.17 4.90 0.00 2.70 2.68 0.00 0.00 6.61 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.64 4.59 0.00 1.78 1.79 0.00 3.18 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 46 N 9.15 5.12 0.00 2.84 2.70 0.00 0.00 6.77 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.58 3.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 48 D 7.97 4.45 0.00 2.78 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.15 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.17 4.61 0.00 3.95 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.93 5.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 52 D 9.06 5.47 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 9.14 5.04 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.04 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.29 3.87 1.90 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 2.45 0.85 0.00 0.00 56 L 7.93 4.57 0.00 1.75 1.77 0.77 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.14 3.51 0.00 2.44 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.74 0.00 58 I 8.09 4.13 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.85 1.07 0.00 0.00 59 N 9.06 5.36 0.00 3.03 3.00 0.00 0.00 6.98 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 9.06 4.54 0.00 4.04 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 9.09 3.71 0.00 1.66 1.78 0.00 2.81 0.00 0.00 2.75 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.90 0.00 62 W 8.07 4.24 0.00 2.30 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 W 8.23 4.99 0.00 3.65 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.91 5.54 0.00 3.21 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.94 4.92 0.00 2.76 2.67 0.00 0.00 7.12 9.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.42 4.63 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.50 3.80 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.39 4.70 0.00 1.89 1.95 0.00 3.04 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 69 T 7.62 4.42 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 70 P 0.00 4.27 0.00 1.98 1.97 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 71 G 9.18 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.11 4.05 0.00 3.81 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.16 4.26 0.00 1.65 1.88 0.00 3.52 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 74 N 8.06 4.16 0.00 2.87 2.75 0.00 0.00 7.24 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.30 4.09 0.00 1.40 1.77 0.43 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.56 4.63 0.00 3.38 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.09 4.19 0.00 2.88 2.86 0.00 0.00 6.72 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.02 4.59 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.77 0.97 0.00 0.00 79 P 0.00 4.73 0.00 2.18 2.17 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 80 C 8.84 3.93 0.00 1.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.89 3.90 0.00 4.03 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.97 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.77 4.23 0.00 1.83 1.82 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.50 5.28 0.00 1.80 1.78 1.09 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 85 S 6.96 4.36 0.00 3.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.50 4.26 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.83 4.62 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.38 4.01 1.68 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.32 0.72 0.00 0.00 89 T 8.07 3.62 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 90 A 7.89 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.96 4.07 0.00 3.95 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.87 3.31 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.64 0.00 0.00 93 N 8.29 4.25 0.00 2.74 2.80 0.00 0.00 6.70 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 C 8.11 4.12 0.00 3.12 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.04 4.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.79 3.67 0.00 1.74 1.47 0.00 1.32 0.00 0.00 1.13 0.00 0.00 2.23 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 1.09 7.81 97 K 7.25 4.09 0.00 1.84 2.00 0.00 1.85 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.71 7.81 98 I 7.42 3.08 1.65 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.26 -0.20 0.00 0.00 99 V 8.37 3.79 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.80 0.00 0.00 100 S 7.83 4.54 0.00 4.13 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.90 4.57 0.00 2.99 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.22 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.44 4.73 0.00 2.80 2.83 0.00 0.00 7.04 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 7.81 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 M 7.37 4.21 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.96 0.00 106 N 7.79 4.87 0.00 2.94 3.01 0.00 0.00 6.89 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.50 3.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.21 4.61 0.00 3.60 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.55 3.72 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.96 0.00 0.00 110 A 8.41 4.02 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 W 8.28 3.95 0.00 3.35 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.01 3.48 0.00 2.16 2.12 0.00 3.32 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.99 0.00 113 N 8.07 4.53 0.00 2.76 2.75 0.00 0.00 6.86 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.00 4.42 0.00 1.27 1.09 0.00 2.84 0.00 0.00 2.74 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.41 0.00 115 C 7.65 4.75 0.00 2.45 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.12 3.28 0.00 0.79 1.29 0.00 1.67 0.00 0.00 1.48 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.17 0.88 7.81 117 G 8.84 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.44 4.63 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 119 D 8.21 4.67 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.02 4.26 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.10 0.00 0.00 121 Q 8.45 4.13 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 122 A 7.93 3.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.06 4.30 0.00 3.56 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.91 4.48 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.98 1.03 0.00 0.00 125 R 7.43 4.01 0.00 1.73 1.96 0.00 3.25 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 126 G 8.90 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 C 7.59 4.48 0.00 3.05 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.38 4.26 0.00 1.77 1.88 0.00 3.18 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 129 L 8.22 4.35 0.00 1.65 1.52 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.